2-(1,3-benzothiazol-2-yl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)acrylonitrile Formula: C17H9N5O2S2 MolecularWeight: 379.41566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CN3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=S)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=CN3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=S)C#N

InChI

InChI=1S/C17H9N5O2S2/c18-8-10(16-19-13-3-1-2-4-15(13)26-16)9-21-14-7-11(22(23)24)5-6-12(14)20-17(21)25/h1-7,9H,(H,20,25)